smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)Cn1c2ccccc2[nH+]c1CCCCCNC(=O)C(C)C	ZINC000040211720	213281633	/nfs/dbraw/zinc/28/16/33/213281633.db2.gz	POVSJUVQAYDKPE-UHFFFAOYSA-N	1	2	327.472	4.097	10	30		EIEELO
C[N@H+](Cc1ncc(-c2ccccc2Cl)o1)Cc1cccc(C#N)c1	ZINC000075596126	1056798091	/nfs/dbraw/zinc/79/80/91/1056798091.db2.gz	MMEGBGBAWYXAOA-UHFFFAOYSA-N	1	2	337.810	4.499	10	30		EIEELO
C[N@@H+](Cc1ncc(-c2ccccc2Cl)o1)Cc1cccc(C#N)c1	ZINC000075596126	1056798106	/nfs/dbraw/zinc/79/81/06/1056798106.db2.gz	MMEGBGBAWYXAOA-UHFFFAOYSA-N	1	2	337.810	4.499	10	30		EIEELO
C=C(C)Cn1c2ccccc2[nH+]c1CCCCCNC(=O)C(=C)C	ZINC000040219728	213282206	/nfs/dbraw/zinc/28/22/06/213282206.db2.gz	MSYIXBYMFQHXMU-UHFFFAOYSA-N	1	2	325.456	4.018	10	30		EIEELO
CC(C)(C)[NH+]=C(Nc1nccs1)Nc1cccc2cnccc21	ZINC000026149772	201386514	/nfs/dbraw/zinc/38/65/14/201386514.db2.gz	SCGZAUANSFOUHP-UHFFFAOYSA-N	1	2	325.441	4.179	10	30		EIEELO
Nc1ccccc1C(=[NH+]Nc1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000083323745	563973408	/nfs/dbraw/zinc/97/34/08/563973408.db2.gz	DNLDHLCLOIYUGS-QOCHGBHMSA-N	1	2	332.363	4.042	10	30		EIEELO
C=CCC(C)(C)C(=O)N1CCC(n2c[nH+]c3ccc(C)cc32)CC1	ZINC000034915371	563484296	/nfs/dbraw/zinc/48/42/96/563484296.db2.gz	JGFOZZRJEYYCEJ-UHFFFAOYSA-N	1	2	325.456	4.111	10	30		EIEELO
C=CCNc1[nH+]cnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1N	ZINC000040709099	213373408	/nfs/dbraw/zinc/37/34/08/213373408.db2.gz	KDVDKGHBYCWJKG-UHFFFAOYSA-N	1	2	343.740	4.073	10	30		EIEELO
C=CCNc1nc[nH+]c(Nc2ccc(Cl)c(C(F)(F)F)c2)c1N	ZINC000040709099	213373411	/nfs/dbraw/zinc/37/34/11/213373411.db2.gz	KDVDKGHBYCWJKG-UHFFFAOYSA-N	1	2	343.740	4.073	10	30		EIEELO
C=C(C)C(=O)NCCCCCc1[nH+]c2ccccc2n1CCC(C)C	ZINC000040219735	213282037	/nfs/dbraw/zinc/28/20/37/213282037.db2.gz	PGHGRBAPGFBCQH-UHFFFAOYSA-N	1	2	341.499	4.488	10	30		EIEELO
C=C(C)Cn1c2ccccc2[nH+]c1CCCCCNC(=O)CCC	ZINC000040211228	213281367	/nfs/dbraw/zinc/28/13/67/213281367.db2.gz	SELORMKPGDJFNM-UHFFFAOYSA-N	1	2	327.472	4.242	10	30		EIEELO
Cc1ccc(/N=C2\c3ccccc3N(C[NH+]3CCCCC3)C2=O)c(C)c1	ZINC000103856835	219327314	/nfs/dbraw/zinc/32/73/14/219327314.db2.gz	KGBMTCWYVLHSAL-XTQSDGFTSA-N	1	2	347.462	4.214	10	30		EIEELO
O=C(CN1CCS/C1=[NH+]\Cc1ccccc1)c1ccc(Cl)cc1	ZINC000013496551	257836432	/nfs/dbraw/zinc/83/64/32/257836432.db2.gz	JMFWYHUSOJHZJI-ZZEZOPTASA-N	1	2	344.867	4.128	10	30		EIEELO
C=C(C)C(=O)NCCCCCc1[nH+]c2ccccc2n1CC(C)C	ZINC000040219727	213282838	/nfs/dbraw/zinc/28/28/38/213282838.db2.gz	CWMIJNTTWWPBOC-UHFFFAOYSA-N	1	2	327.472	4.097	10	30		EIEELO
CC[NH2+][C@@](C)(C#N)CCCSc1cccc(Br)c1	ZINC000055309217	214305463	/nfs/dbraw/zinc/30/54/63/214305463.db2.gz	RQYDHNJIYRRUKS-CQSZACIVSA-N	1	2	327.291	4.213	10	30		EIEELO
CC[NH2+][C@](C)(C#N)CCCSc1cccc(Br)c1	ZINC000055309215	214305255	/nfs/dbraw/zinc/30/52/55/214305255.db2.gz	RQYDHNJIYRRUKS-AWEZNQCLSA-N	1	2	327.291	4.213	10	30		EIEELO
C=CCn1c(CCCCCNC(=O)C(CC)CC)[nH+]c2ccccc21	ZINC000040211558	213281591	/nfs/dbraw/zinc/28/15/91/213281591.db2.gz	PHCSGWMCGCYQEY-UHFFFAOYSA-N	1	2	341.499	4.488	10	30		EIEELO
C=C(C)Cn1c(CCCCCNC(=O)/C=C/C)[nH+]c2ccccc21	ZINC000040219400	213282655	/nfs/dbraw/zinc/28/26/55/213282655.db2.gz	UOHHNYQOEAUUGC-ONNFQVAWSA-N	1	2	325.456	4.018	10	30		EIEELO
CC(C)(C)[NH+]=C(Nc1nccs1)Nc1cccc2ncccc21	ZINC000026159487	212509083	/nfs/dbraw/zinc/50/90/83/212509083.db2.gz	BARGXFHVTDYCNS-UHFFFAOYSA-N	1	2	325.441	4.179	10	30		EIEELO
C#CC[N@@H+](CC=C)Cc1nc(-c2ccc(OC)c3ccccc23)oc1C	ZINC000019744094	212060709	/nfs/dbraw/zinc/06/07/09/212060709.db2.gz	JTXPLFOSZKLYHK-UHFFFAOYSA-N	1	2	346.430	4.433	10	30		EIEELO
C#CC[N@H+](CC=C)Cc1nc(-c2ccc(OC)c3ccccc23)oc1C	ZINC000019744094	212060711	/nfs/dbraw/zinc/06/07/11/212060711.db2.gz	JTXPLFOSZKLYHK-UHFFFAOYSA-N	1	2	346.430	4.433	10	30		EIEELO
C=CCNc1[nH+]cnc(Nc2cc(C(F)(F)F)ccc2Cl)c1N	ZINC000040682402	213368032	/nfs/dbraw/zinc/36/80/32/213368032.db2.gz	GRTCEJGLZXDTKM-UHFFFAOYSA-N	1	2	343.740	4.073	10	30		EIEELO
Clc1ccccc1/C=N\N1CC[NH+](Cc2ccccc2Cl)CC1	ZINC000019771513	212062992	/nfs/dbraw/zinc/06/29/92/212062992.db2.gz	ATINJQLEUWXRMA-BKUYFWCQSA-N	1	2	348.277	4.145	10	30		EIEELO
C=C(C)C(=O)NCCCCCc1[nH+]c2ccccc2n1CCCC	ZINC000040219732	213283012	/nfs/dbraw/zinc/28/30/12/213283012.db2.gz	QZLJPVJFYLSMNK-UHFFFAOYSA-N	1	2	327.472	4.242	10	30		EIEELO
Nc1ccc(C(=O)O/C(NC2CCCCC2)=[NH+]/C2CCCCC2)cc1	ZINC000003898503	527474894	/nfs/dbraw/zinc/47/48/94/527474894.db2.gz	CSFXXCPDCJQNJH-UHFFFAOYSA-N	1	2	343.471	4.037	10	30		EIEELO